Geometry & MOs

Info

ID:

113545

PubChem CID:

50449843

Reduced:

O5N6C38H40 (1)

Stoich.:

A5B6C38D40 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-133.84

Dipole, Da:

4.4

IP(EA), eV:

 -8.89(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(4-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations